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Home > Fluorides > 102687-64-9
102687-64-9 | Benzene, [(3,3,3-trifluoropropyl)thio]-
CAS No: 102687-64-9 Catalog No: AG00083V MDL No:MFCD25371534
Product Description
Catalog Number:
AG00083V
Chemical Name:
Benzene, [(3,3,3-trifluoropropyl)thio]-
CAS Number:
102687-64-9
Molecular Formula:
C9H9F3S
Molecular Weight:
206.2280
MDL Number:
MFCD25371534
IUPAC Name:
3,3,3-trifluoropropylsulfanylbenzene
InChI:
InChI=1S/C9H9F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
ZLBWLAAFXZPFKH-UHFFFAOYSA-N
SMILES:
FC(CCSc1ccccc1)(F)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.226g/mol
Monoisotopic Mass:
206.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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